Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-({3-[3-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798966
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cn(nc1c1ccc(c(c1)C)OCC=C)c1ccccc1)/s2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C38H34N4O5S MW 658.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N4O5S/c1-6-19-46-31-18-15-27(21-24(31)3)34-28(23-41(40-34)29-11-9-8-10-12-29)22-32-36(43)42-35(26-13-16-30(45-5)17-14-26)33(37(44)47-20-7-2)25(4)39-38(42)48-32/h6-18,21-23,35H,1-2,19-20H2,3-5H3/b32-22-InChIKey
SGWSWIKHSNXVJK-JDCMOKTRSA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cn(nc1c1ccc(c(c1)C)OCC=C)c1ccccc1)s2
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=C(C=C5)OC)C6=CC=CC=C6)OCC=C
InChI=1SC38H34N4O5Sc16194631181527(2124(31)3)3428(2341(4034)291198101229)223236(43)4235(26131630(455)171426)33(37(44)472072)25(4)3938(42)4832h618212335H121920H235H3b3222
MFCD03462166
prop2en1yl(2Z)5(4methoxyphenyl)7methyl2((3(3methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4METHOXYPHENYL)7METHYL2((3(3METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097946220
ZINC000097946221
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